
TY  - JOUR
A1  - Frederiksen, Mathias Ugelstad 
A1  - Langler, Richard Francis 
A1  - Watson, Keith Jeffery 
A1  - Penwell, Andrea 
A1  - Darvesh, Katherine Valenta 
T1  - Are Polarized Cyclobutadienes Non-Aromatic?
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 2000
VL  - 53
IS  - 6
SP  - 443
EP  - 449
KW  - Antiaromatic; non-alternant cyclobutadienes; MP2 computations; PM3 calculations; ground-state multiplicity.
UR  - https://doi.org/10.1071/CH99158 
N2  - A series of non-alternant cyclobutadienes, both hydrocarbon and heteroatom-substituted, are examined by means of PM3 semiempirical molecular orbital calculations. The results show that even very substantial polarization has no simply predictable effect on antiaromatic character as measured by the singlet&#8211;triplet energy gap. MP2 calculations on selected hydrocarbons lead to the same conclusion. 
ER  -

